3-[7-fluoranyl-2-(trifluoromethyl)phenothiazin-10-yl]propyl hydrogen sulfate

Systemtic Name: 3-[7-fluoranyl-2-(trifluoromethyl)phenothiazin-10-yl]propyl hydrogen sulfate Openeye Name: 3-[7-fluoro-2-(trifluoromethyl)phenothiazin-10-yl]propyl hydrogen sulfate CAS Name: sulfuric acid 3-[7-fluoro-2-(trifluoromethyl)-10-phenothiazinyl]propyl ester IUPAC Name: 3-[7-fluoro-2-(trifluoromethyl)phenothiazin-10-yl]propyl hydrogen sulfate Traditional Name: sulfuric acid 3-[7-fluoro-2-(trifluoromethyl)phenothiazin-10-yl]propyl ester Formula: C16H13F4NO4S2 MolecularWeight: 423.402333

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(F)(F)F)N(C3=C(S2)C=C(C=C3)F)CCCOS(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C1C(F)(F)F)N(C3=C(S2)C=C(C=C3)F)CCCOS(=O)(=O)O

InChI

InChI=1S/C16H13F4NO4S2/c17-11-3-4-12-15(9-11)26-14-5-2-10(16(18,19)20)8-13(14)21(12)6-1-7-25-27(22,23)24/h2-5,8-9H,1,6-7H2,(H,22,23,24)